Quantum effect induced reverse kinetic molecular sieving in microporous materials

Anil Kumar, A. V. ; Bhatia, Suresh K. (2005) Quantum effect induced reverse kinetic molecular sieving in microporous materials Physical Review Letters, 95 (24). 245901_1-245901_4. ISSN 0031-9007

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Official URL: http://prl.aps.org/abstract/PRL/v95/i24/e245901

Related URL: http://dx.doi.org/10.1103/PhysRevLett.95.245901

Abstract

We report kinetic molecular sieving of hydrogen and deuterium in zeolite rho at low temperatures, using atomistic molecular dynamics simulations incorporating quantum effects via the Feynman-Hibbs approach. We find that diffusivities of confined molecules decrease when quantum effects are considered, in contrast with bulk fluids which show an increase. Indeed, at low temperatures, a reverse kinetic sieving effect is demonstrated in which the heavier isotope, deuterium, diffuses faster than hydrogen. At 65 K, the flux selectivity is as high as 46, indicating a good potential for isotope separation.

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Source:Copyright of this article belongs to American Physical Society.
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Deposited On:08 Oct 2010 11:59
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